ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate

C15H18ClN5O2 — CID 136560155

IUPACethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H18ClN5O2/c1-2-23-15(22)11-8-13(16)19-20-14(11)21-7-3-4-10(9-21)12-5-6-17-18-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyJEGDQGJBUNZOFQ-UHFFFAOYSA-N
MW335.80 g/mol
LogP2.41
Rot. Bonds4

About ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate

ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate (PubChem CID 136560155) has the molecular formula C15H18ClN5O2 and a molecular weight of 335.80 g/mol. Its IUPAC name is ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate
PubChem CID136560155
Molecular FormulaC15H18ClN5O2
Molecular Weight335.80 g/mol
Exact Mass335.11
IUPAC Nameethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(Cl)nnc1N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C15H18ClN5O2/c1-2-23-15(22)11-8-13(16)19-20-14(11)21-7-3-4-10(9-21)12-5-6-17-18-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18)
InChIKeyJEGDQGJBUNZOFQ-UHFFFAOYSA-N
XLogP2.41
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.80
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 6-chloro-3-piperazin-1-ylpyridazine-4-carboxylate
CID 117100436
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95768590
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
ethyl 2-nitro-5-[4-(1H-pyrazol-5-yl)piperidin-1-yl]benzoate
CID 133360805
(4-amino-2-chlorophenyl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 61109383
[(1S,2R)-2-ethoxycyclopropyl]-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768641
ethyl 2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-3-carboxylate
CID 97351945
2-(aminomethyl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 65227203
(1-benzyl-5-methyltriazol-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95205487
6-amino-2-methyl-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]heptan-1-one
CID 65292377
(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605858
(4-methylthiadiazol-5-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70769853

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate?
The IUPAC name of ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate (CID 136560155) is ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate.
What is the SMILES notation for ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate?
The canonical SMILES for ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate is CCOC(=O)c1cc(Cl)nnc1N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate?
The InChIKey is JEGDQGJBUNZOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O2/c1-2-23-15(22)11-8-13(16)19-20-14(11)21-7-3-4-10(9-21)12-5-6-17-18-12/h5-6,8,10H,2-4,7,9H2,1H3,(H,17,18).
What are the key properties of ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate?
ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate has a molecular weight of 335.80 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-3-[3-(1H-pyrazol-5-yl)piperidin-1-yl]pyridazine-4-carboxylate is sourced from PubChem (CID 136560155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).